Geometry & MOs

Info

ID:	37032
PubChem CID:	8016291
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	406.164105
ΔH_f, kcal/mol:	-248.26
Dipole, Da:	5.63
IP(EA), eV:	-9.12(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-hydroxypropyl)-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCCC[C@H](C(=O)O)NC(=O)CC1=C(C2=C(C=C(C3=C2OC=C3C)C)OC1=O)C

DOS

IR

Vibrations