Geometry & MOs

Info

ID:	124937
PubChem CID:	50904799
Reduced:	SN2O3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	431.190815
ΔH_f, kcal/mol:	-95.68
Dipole, Da:	5.0
IP(EA), eV:	-8.8(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](CC(C1)(C)C)N(C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4

DOS

IR

Vibrations