Geometry & MOs

Info

ID:	330539
PubChem CID:	127247946
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	348.146741
ΔH_f, kcal/mol:	-53.97
Dipole, Da:	2.36
IP(EA), eV:	-8.73(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)NC)CC2=CC3=CC=CC=C3S2

DOS

IR

Vibrations