Geometry & MOs

Info

ID:	34401
PubChem CID:	7891125
Reduced:	ClOS2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	373.091
ΔH_f, kcal/mol:	49.78
Dipole, Da:	5.42
IP(EA), eV:	-8.51(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-amino-3-nitrobenzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=NN=C(S2)S[C@@H](C)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations