Geometry & MOs

Info

ID:	77986
PubChem CID:	49681371
Reduced:	S2O4N5C19H19 (1)
Stoich.:	A2B4C5D19E19 (1)
Weight, g/mol:	407.108582
ΔH_f, kcal/mol:	5.53
Dipole, Da:	11.14
IP(EA), eV:	-8.79(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[2-(4-methoxyphenyl)ethylcarbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations