Geometry & MOs

Info

ID:	15753
PubChem CID:	449486
Reduced:	O2S2N5C13H15 (1)
Stoich.:	A2B2C5D13E15 (1)
Weight, g/mol:	337.066717
ΔH_f, kcal/mol:	-0.18
Dipole, Da:	3.95
IP(EA), eV:	-9.16(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-methyl-3-phenyl-2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoylamino]propanamide

Drug info:

PubChemData

Smile

CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NC2=NN=C(S2)S

DOS

IR

Vibrations