Geometry & MOs

Info

ID:	178063
PubChem CID:	76271421
Reduced:	SN3O4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	382.156243
ΔH_f, kcal/mol:	-78.1
Dipole, Da:	4.51
IP(EA), eV:	-9.24(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC1=NC(=NO1)C2=CC=CS2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations