Geometry & MOs

Info

ID:	32554
PubChem CID:	7843183
Reduced:	O3H18C25 (1)
Stoich.:	A3B18C25 (1)
Weight, g/mol:	377.158685
ΔH_f, kcal/mol:	-18.2
Dipole, Da:	2.53
IP(EA), eV:	-8.77(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)OCC(=O)OC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations