Geometry & MOs

Info

ID:	233021
PubChem CID:	87691307
Reduced:	N3C10H21 (1)
Stoich.:	A3B10C21 (1)
Weight, g/mol:	512.383407
ΔH_f, kcal/mol:	27.48
Dipole, Da:	3.95
IP(EA), eV:	-8.18(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

27-isocyanatoheptacosylcarbamodithioic acid

Drug info:

PubChemData

Smile

CN(/C=C/CNC/C=C/N(C)C)C

DOS

IR

Vibrations