Geometry & MOs

Info

ID:	309671
PubChem CID:	126553710
Reduced:	O3N6C23H30 (1)
Stoich.:	A3B6C23D30 (1)
Weight, g/mol:	533.113378
ΔH_f, kcal/mol:	-76.47
Dipole, Da:	4.21
IP(EA), eV:	-9.28(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-[5-chloro-2-(5-chloro-1,2-dihydrotriazol-3-yl)phenyl]-6-oxopyrimidin-1-yl]-3-phenyl-N-pyridin-4-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)NC(=O)C2CC3=C(N2C(=O)C(C(C)C)NC(=O)[C@H](C)NC)N=CC=C3

DOS

IR

Vibrations