Geometry & MOs

Info

ID:	237301
PubChem CID:	92718111
Reduced:	SN3O4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	467.187878
ΔH_f, kcal/mol:	-123.85
Dipole, Da:	2.57
IP(EA), eV:	-8.93(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](COC)N1C(=O)C2=CC=CC=C2N=C1S[C@@H](C)C(=O)C3=CC=C(C=C3)NC(=O)C(C)C

DOS

IR

Vibrations