Geometry & MOs

Info

ID:	49301
PubChem CID:	11532739
Reduced:	NO3C13H13 (2)
Stoich.:	AB3C13D13 (2)
Weight, g/mol:	462.136176
ΔH_f, kcal/mol:	-193.63
Dipole, Da:	1.95
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[6-[1-hydroxy-2-[1-(4-methylthiophen-2-yl)ethyl]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NCC2=CC(=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O

DOS

IR

Vibrations