Geometry & MOs

Info

ID:	153842
PubChem CID:	56313163
Reduced:	BrO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	410.166414
ΔH_f, kcal/mol:	-31.1
Dipole, Da:	0.95
IP(EA), eV:	-9.45(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-4-methyl-N-(3-phenylbutyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)Br)C3=CC=CC=C3

DOS

IR

Vibrations