Geometry & MOs

Info

ID:	243606
PubChem CID:	99233337
Reduced:	SN3O4C20H31 (1)
Stoich.:	AB3C4D20E31 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-171.41
Dipole, Da:	6.41
IP(EA), eV:	-9.55(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]phenyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(=O)N2CCC[C@H]2C(C)C

DOS

IR

Vibrations