Geometry & MOs

Info

ID:	244373
PubChem CID:	99344358
Reduced:	N4O4C21H34 (1)
Stoich.:	A4B4C21D34 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-204.63
Dipole, Da:	6.19
IP(EA), eV:	-9.29(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-cyclopropyl-2-[3-(4-methoxyphenyl)propanoylamino]ethyl]-3-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H](C1)C(=O)NC[C@@H](C2CC2)NC(=O)[C@@H]3CCCN(C3)C(=O)C

DOS

IR

Vibrations