Geometry & MOs

Info

ID:	309689
PubChem CID:	126554578
Reduced:	SO2N7H21C27 (1)
Stoich.:	AB2C7D21E27 (1)
Weight, g/mol:	560.124277
ΔH_f, kcal/mol:	120.21
Dipole, Da:	5.27
IP(EA), eV:	-8.9(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=CN=CC5=N4)C6=CC=C(S6)C(=O)C)/NN3

DOS

IR

Vibrations