Geometry & MOs

Info

ID:	432096
PubChem CID:	135172228
Reduced:	F3O3N4C26H39 (1)
Stoich.:	A3B3C4D26E39 (1)
Weight, g/mol:	513.292675
ΔH_f, kcal/mol:	-287.27
Dipole, Da:	11.92
IP(EA), eV:	-8.62(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methoxy-3-[3-[[C-methyl-N-[N-methyl-C-(trifluoromethyl)carbonimidoyl]carbonimidoyl]amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanamide

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

CCCOCN1C=C(N=C1NC2=C(C=CC(=C2)[C@H](C)CC(=O)O)N(CC(C)C)CC(C)C)C(F)(F)F

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

CCCOCN1C=C(N=C1NC2=C(C=CC(=C2)[C@H](C)CC(=O)O)N(CC(C)C)CC(C)C)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):