Geometry & MOs

Info

ID:	244374
PubChem CID:	99344363
Reduced:	N2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-131.99
Dipole, Da:	6.3
IP(EA), eV:	-8.53(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(=O)NC[C@@H](C2CC2)NC(=O)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations