Geometry & MOs

Info

ID:	224756
PubChem CID:	85349226
Reduced:	NC17H31 (1)
Stoich.:	AB17C31 (1)
Weight, g/mol:	251.074678
ΔH_f, kcal/mol:	-31.25
Dipole, Da:	1.13
IP(EA), eV:	-8.8(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(1-chloro-3-methyl-1-sulfanylidenebutan-2-yl)carbamate

Drug info:

PubChemData

Smile

CCCCNC(C)C=CC1C(=CCCC1(C)C)C

DOS

IR

Vibrations