Geometry & MOs

Info

ID:	354334
PubChem CID:	127286460
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-97.09
Dipole, Da:	3.09
IP(EA), eV:	-9.08(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl(thiophen-2-yl)methyl]-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(C2=CC=CS2)NC(=O)N3CCC(CC3)C(=O)N4CCOCC4

DOS

IR

Vibrations