Geometry & MOs

Info

ID:	449205
PubChem CID:	135296836
Reduced:	N2O6C23H28 (1)
Stoich.:	A2B6C23D28 (1)
Weight, g/mol:	571.092643
ΔH_f, kcal/mol:	-213.34
Dipole, Da:	12.87
IP(EA), eV:	-9.48(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,2-benzoxazol-3-yl)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1(CC[C@H]2N1N3C=C(C(=O)C=C3C4=C2C=C(C(=C4)COC)OCCCO)C(=O)O)C

DOS

IR

Vibrations