Geometry & MOs

Info

ID:	148785
PubChem CID:	53788454
Reduced:	OSN5H13C16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	445.112999
ΔH_f, kcal/mol:	63.87
Dipole, Da:	4.12
IP(EA), eV:	-9.21(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6R)-5-oxo-4-(3-phenylprop-2-enyl)-1,4-thiazepan-6-yl]-4-sulfamoylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(S2)CC3=NC4=C(N3)C(=O)N=C(N4)N

DOS

IR

Vibrations