Geometry & MOs

Info

ID:	353186
PubChem CID:	127284366
Reduced:	N4O4C17H26 (1)
Stoich.:	A4B4C17D26 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-188.95
Dipole, Da:	4.36
IP(EA), eV:	-9.48(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)C(=O)N)N2C(=O)C3CCCCC3C2=O

DOS

IR

Vibrations