Geometry & MOs

Info

ID:	243490
PubChem CID:	99224345
Reduced:	S2N4O5C19H24 (1)
Stoich.:	A2B4C5D19E24 (1)
Weight, g/mol:	471.103098
ΔH_f, kcal/mol:	-147.61
Dipole, Da:	3.39
IP(EA), eV:	-9.13(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations