Geometry & MOs

Info

ID:	192907
PubChem CID:	78323779
Reduced:	N2O7C30H34 (1)
Stoich.:	A2B7C30D34 (1)
Weight, g/mol:	490.226786
ΔH_f, kcal/mol:	-229.13
Dipole, Da:	0.96
IP(EA), eV:	-8.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4S)-5-[1-(4-fluorophenyl)propan-2-ylamino]-2-methyl-5-oxo-4-[(4-phenylbenzoyl)amino]pentanoate

Drug info:

PubChemData

Smile

C[C@@H](C[C@@H](C(=O)NCC1=CC(=C(C(=C1)OC)OC)OC)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations