Geometry & MOs

Info

ID:	314851
PubChem CID:	126623718
Reduced:	ClO2N7C27H28 (1)
Stoich.:	AB2C7D27E28 (1)
Weight, g/mol:	532.293722
ΔH_f, kcal/mol:	67.74
Dipole, Da:	7.57
IP(EA), eV:	-8.9(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R)-4-ethoxy-3-methyl-4-oxo-3-[(4-phenylphenyl)methyl]butyl]amino]-4-oxobutanoic acid;N-ethylaniline

Drug info:

PubChemData

Smile

CC1=NN(C2=NC=NC(=C12)NC3=CC=CC=C3)[C@H](C)C4=CC(=C(C(=C4OC)C5CN(C5)CCO)C#N)Cl

DOS

IR

Vibrations