Geometry & MOs

Info

ID:	31960
PubChem CID:	3725306
Reduced:	NCl2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	508.195583
ΔH_f, kcal/mol:	-29.11
Dipole, Da:	2.56
IP(EA), eV:	-9.28(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-2-[4-[(3,4,5-trimethoxyphenyl)methylcarbamothioyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C12CC3CC(C1)CC(C3)(C2)C4=CC(=C(C=C4)Cl)Cl)N

DOS

IR

Vibrations