Geometry & MOs

Info

ID:	152850
PubChem CID:	56311929
Reduced:	FO2N4C25H33 (1)
Stoich.:	AB2C4D25E33 (1)
Weight, g/mol:	496.171118
ΔH_f, kcal/mol:	-103.95
Dipole, Da:	4.14
IP(EA), eV:	-8.54(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F)C

DOS

IR

Vibrations