Geometry & MOs

Info

ID:	364845
PubChem CID:	127316286
Reduced:	N2S2O4C15H24 (1)
Stoich.:	A2B2C4D15E24 (1)
Weight, g/mol:	361.112999
ΔH_f, kcal/mol:	-192.24
Dipole, Da:	6.3
IP(EA), eV:	-8.79(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(thian-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1CSCCC1CNC(=O)C2CC(=O)N(C2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations