Geometry & MOs

Info

ID:	172687
PubChem CID:	75541885
Reduced:	SN2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	344.076553
ΔH_f, kcal/mol:	98.55
Dipole, Da:	9.48
IP(EA), eV:	-8.7(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carbamothioylhydrazinylidene)-N-(4-methoxyphenyl)-2-phenylethanethioamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)C(=NNC(=S)N)C2=CC=CC=C2

DOS

IR

Vibrations