Geometry & MOs

Info

ID:	33269
PubChem CID:	7885741
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	418.246772
ΔH_f, kcal/mol:	-74.02
Dipole, Da:	5.07
IP(EA), eV:	-8.63(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N(C)CC3=CC=CC=C3OC)C

DOS

IR

Vibrations