Geometry & MOs

Info

ID:	346217
PubChem CID:	127270708
Reduced:	O2N7C19H27 (1)
Stoich.:	A2B7C19D27 (1)
Weight, g/mol:	394.167477
ΔH_f, kcal/mol:	-30.91
Dipole, Da:	6.72
IP(EA), eV:	-9.07(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-piperidin-1-ylsulfonylbenzoyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)CC(=O)N3CCCN(CC3)C(=O)N)C)C

DOS

IR

Vibrations