Geometry & MOs

Info

ID:	346220
PubChem CID:	127270711
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	394.167477
ΔH_f, kcal/mol:	-119.01
Dipole, Da:	5.66
IP(EA), eV:	-9.38(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCCN(CC2)C(=O)N

DOS

IR

Vibrations