Geometry & MOs

Info

ID:	135352
PubChem CID:	51858396
Reduced:	NSO2C9H11 (2)
Stoich.:	ABC2D9E11 (2)
Weight, g/mol:	451.192963
ΔH_f, kcal/mol:	-129.77
Dipole, Da:	7.53
IP(EA), eV:	-8.49(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-[(2S)-2-phenylpropyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CCSC)C(=O)NC2=CC=CC=C2O

DOS

IR

Vibrations