Geometry & MOs

Info

ID:	440111
PubChem CID:	135230011
Reduced:	N3Cl4O5H25C27 (1)
Stoich.:	A3B4C5D25E27 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-189.31
Dipole, Da:	7.89
IP(EA), eV:	-8.8(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl (2S)-2-amino-3-[4-(2-hydroxy-1,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl)phenyl]propanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CC(=O)NC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=C(C=C(C=C3Cl)OCCCN)Cl)Cl

DOS

IR

Vibrations