Geometry & MOs

Info

ID:	225431
PubChem CID:	85786805
Reduced:	NO2C20H31 (1)
Stoich.:	AB2C20D31 (1)
Weight, g/mol:	287.080242
ΔH_f, kcal/mol:	-50.65
Dipole, Da:	2.8
IP(EA), eV:	-8.88(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(1-phenylethyl)carbamodithioate

Drug info:

PubChemData

Smile

CC1(CCCC(N1OC(COCC=C)C2=CC=CC=C2)(C)C)C

DOS

IR

Vibrations