Geometry & MOs

Info

ID:	52468
PubChem CID:	12015335
Reduced:	SN2C7H14 (1)
Stoich.:	AB2C7D14 (1)
Weight, g/mol:	250.077599
ΔH_f, kcal/mol:	20.83
Dipole, Da:	4.66
IP(EA), eV:	-9.06(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(3-thiocyanatopropyl)carbamate

Drug info:

PubChemData

Smile

CC(C)N(C)CCSC#N

DOS

IR

Vibrations