Geometry & MOs

Info

ID:	243354
PubChem CID:	99222707
Reduced:	SN4O4C21H28 (1)
Stoich.:	AB4C4D21E28 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-110.49
Dipole, Da:	9.07
IP(EA), eV:	-8.93(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1-(4-propylphenyl)ethyl]butanamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@H](C)N(CC(=O)N)C(=O)CSCC(=O)NC2=NOC(=C2)C

DOS

IR

Vibrations