Geometry & MOs

Info

ID:	163085
PubChem CID:	57636535
Reduced:	N4O7C33H44 (1)
Stoich.:	A4B7C33D44 (1)
Weight, g/mol:	426.13036
ΔH_f, kcal/mol:	-311.18
Dipole, Da:	6.49
IP(EA), eV:	-8.77(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-3-[5-(3-fluoroanilino)pyridin-2-yl]urea

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):