Geometry & MOs

Info

ID:	366466
PubChem CID:	127319955
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	357.208613
ΔH_f, kcal/mol:	-14.46
Dipole, Da:	5.87
IP(EA), eV:	-8.29(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butanoyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NCC(C)(C)N3CCS(=O)CC3)C

DOS

IR

Vibrations