Geometry & MOs

Info

ID:	175542
PubChem CID:	75919443
Reduced:	NSO4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	383.209658
ΔH_f, kcal/mol:	-156.18
Dipole, Da:	2.49
IP(EA), eV:	-8.65(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(4-propan-2-ylbenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CCC1=C(C=C(S1)C(=O)NCC(CC2=CC=C(C=C2)OCC)C(=O)OC)C

DOS

IR

Vibrations