Geometry & MOs

Info

ID:	297082
PubChem CID:	117608060
Reduced:	N4O6C31H40 (1)
Stoich.:	A4B6C31D40 (1)
Weight, g/mol:	479.263151
ΔH_f, kcal/mol:	-193.05
Dipole, Da:	5.36
IP(EA), eV:	-8.83(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (2S)-2-[[(2S,3R)-3-hydroxy-2-[(2-morpholin-4-ylacetyl)amino]butanoyl]amino]-3-(4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC(CC2=CC=CC=C2)C(=O)C3(CO3)C)NC(=O)C4CCCN4C

DOS

IR

Vibrations