Geometry & MOs

Info

ID:	351064
PubChem CID:	127279501
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-114.27
Dipole, Da:	9.33
IP(EA), eV:	-8.47(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCN(CC3)C)C

DOS

IR

Vibrations