Geometry & MOs

Info

ID:	128997
PubChem CID:	51065699
Reduced:	ClSO2N4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	437.04088
ΔH_f, kcal/mol:	-11.92
Dipole, Da:	6.22
IP(EA), eV:	-8.92(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5-bromo-2-propylsulfanylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NCCC(=O)NC3=CC=CC=C3)Cl

DOS

IR

Vibrations