Geometry & MOs

Info

ID:	387413
PubChem CID:	134985289
Reduced:	NO5C11H21 (1)
Stoich.:	AB5C11D21 (1)
Weight, g/mol:	377.137556
ΔH_f, kcal/mol:	-158.12
Dipole, Da:	6.51
IP(EA), eV:	-9.96(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3R)-2,3-bis(1H-indol-3-yl)-4-nitrobutanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C=O)[C@H](C[N+](=O)[O-])C(OC)OC

DOS

IR

Vibrations