Geometry & MOs

Info

ID:	138223
PubChem CID:	52330277
Reduced:	NO8C29H43 (1)
Stoich.:	AB8C29D43 (1)
Weight, g/mol:	414.117549
ΔH_f, kcal/mol:	-318.69
Dipole, Da:	5.8
IP(EA), eV:	-8.72(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[2-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinyl]-1-oxopropan-2-yl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@H]2CC[C@]4([C@@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)NCC(OC)OC)O)C

DOS

IR

Vibrations