Geometry & MOs

Info

ID:	237300
PubChem CID:	92718110
Reduced:	ClSO2N3H22C23 (1)
Stoich.:	ABC2D3E22F23 (1)
Weight, g/mol:	467.187878
ΔH_f, kcal/mol:	-15.47
Dipole, Da:	3.85
IP(EA), eV:	-8.86(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-2-[3-[(2R)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylpropanoyl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC4=CC=CC=C4C(=O)N3[C@@H](C)COC)Cl

DOS

IR

Vibrations