Geometry & MOs

Info

ID:	244759
PubChem CID:	99381431
Reduced:	ClSN3O4C18H26 (1)
Stoich.:	ABC3D4E18F26 (1)
Weight, g/mol:	483.203717
ΔH_f, kcal/mol:	-172.86
Dipole, Da:	9.53
IP(EA), eV:	-8.99(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(3S)-3-carbamoylpiperidin-1-yl]benzoyl]-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)[C@H](C)C(=O)N1CCCN(CC1)C(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations