Geometry & MOs

Info

ID:	358189
PubChem CID:	127295734
Reduced:	SO2N3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	397.159076
ΔH_f, kcal/mol:	-67.61
Dipole, Da:	4.8
IP(EA), eV:	-8.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(2-cyclopentylacetyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NCC3=CSC4=CC=CC=C43

DOS

IR

Vibrations