Geometry & MOs

Info

ID:	268290
PubChem CID:	103598767
Reduced:	O2S2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	384.136845
ΔH_f, kcal/mol:	12.24
Dipole, Da:	5.44
IP(EA), eV:	-9.1(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-N-methyl-2-(5-methyltetrazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN(C)C(=O)C=CC2=CC(=CC=C2)OCC3=CSC(=N3)C

DOS

IR

Vibrations