Geometry & MOs

Info

ID:	44975
PubChem CID:	10506962
Reduced:	N2S3O5C26H38 (1)
Stoich.:	A2B3C5D26E38 (1)
Weight, g/mol:	554.13174
ΔH_f, kcal/mol:	-203.6
Dipole, Da:	5.11
IP(EA), eV:	-8.71(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-[2-(3-bromophenyl)ethyl]-4-oxo-1-phenyl-2H-quinazolin-2-yl]methyl]-3-phenylurea

Drug info:

PubChemData

Smile

CC(C)[C@@H](/C=C/[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)O)/C=C/[C@H](CSSC(=O)OC)N

DOS

IR

Vibrations