Geometry & MOs

Info

ID:	311511
PubChem CID:	126592984
Reduced:	SC4H6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	408.200885
ΔH_f, kcal/mol:	36.17
Dipole, Da:	2.25
IP(EA), eV:	-8.58(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methyl]-N-(5-nitropyridin-2-yl)carbamate

Drug info:

PubChemData

Smile

CC1CSSCC1CC#C

DOS

IR

Vibrations