Geometry & MOs

Info

ID:	25917
PubChem CID:	633742
Reduced:	NSO4C21H29 (1)
Stoich.:	ABC4D21E29 (1)
Weight, g/mol:	392.031437
ΔH_f, kcal/mol:	-187.45
Dipole, Da:	6.28
IP(EA), eV:	-9.42(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-methoxycarbonyl-4-nitrophenyl)sulfanyl-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC12CCC(=O)CC13CCC4C2(C(=O)CC5(C4CCC5O)C)SC(=N3)OC

DOS

IR

Vibrations