Geometry & MOs

Info

ID:	149733
PubChem CID:	53789408
Reduced:	O3N6C16H26 (1)
Stoich.:	A3B6C16D26 (1)
Weight, g/mol:	421.963107
ΔH_f, kcal/mol:	-101.13
Dipole, Da:	5.28
IP(EA), eV:	-8.72(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methanethioyl-3-[2,3,4,5,6-pentakis(methylsulfanyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(C(=O)NC(=O)[C@H](CCCN=C(N)N)N)N

DOS

IR

Vibrations