Geometry & MOs

Info

ID:	186423
PubChem CID:	77429866
Reduced:	O2F3N4C25H29 (1)
Stoich.:	A2B3C4D25E29 (1)
Weight, g/mol:	718.23799
ΔH_f, kcal/mol:	-166.73
Dipole, Da:	11.13
IP(EA), eV:	-9.57(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2,2-diphenylethyl)-7-[[3-(4-iodophenyl)prop-2-enoylamino]methyl]-3-oxo-1,4-diazepan-2-yl]methyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(F)(F)F)C(C)OCC2(CCC(CN2)(CO)N3C=NN=C3)C4=CC=CC=C4

DOS

IR

Vibrations