Geometry & MOs

Info

ID:	122323
PubChem CID:	50802744
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	391.135448
ΔH_f, kcal/mol:	-37.96
Dipole, Da:	3.2
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CN2C(=O)C=C(N=C2S1)CN(CCOC)CC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations