Geometry & MOs

Info

ID:	141010
PubChem CID:	52800139
Reduced:	N3O5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	338.256943
ΔH_f, kcal/mol:	-153.65
Dipole, Da:	4.88
IP(EA), eV:	-8.81(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl-[2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=C(C=C1)OCO2)NC(=O)CN3C(=O)[C@@]4(CCC5=CC=CC=C54)NC3=O

DOS

IR

Vibrations