Geometry & MOs

Info

ID:	243096
PubChem CID:	99215522
Reduced:	SN4O4C23H32 (1)
Stoich.:	AB4C4D23E32 (1)
Weight, g/mol:	438.205576
ΔH_f, kcal/mol:	-129.2
Dipole, Da:	5.19
IP(EA), eV:	-9.2(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxyphenyl)-[4-(2-phenylquinazolin-4-yl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CCC[C@@H](C)NS(=O)(=O)C1=CN=C(C=C1)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations