Geometry & MOs

Info

ID:	77949
PubChem CID:	49681171
Reduced:	O2S2N5C14H23 (1)
Stoich.:	A2B2C5D14E23 (1)
Weight, g/mol:	397.043395
ΔH_f, kcal/mol:	-31.42
Dipole, Da:	3.23
IP(EA), eV:	-8.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[[5-(cyclopropylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)CSC1=NN=C(S1)NC(=O)NC2CC2

DOS

IR

Vibrations