Geometry & MOs

Info

ID:	243793
PubChem CID:	99239630
Reduced:	SN2O5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	-149.48
Dipole, Da:	4.11
IP(EA), eV:	-8.85(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclopropylmethoxymethyl)phenyl]-4-(4-oxoquinazolin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=CC=CC(=C2)COCC3CC3

DOS

IR

Vibrations