Geometry & MOs

Info

ID:	268080
PubChem CID:	103597737
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	385.132094
ΔH_f, kcal/mol:	44.0
Dipole, Da:	6.17
IP(EA), eV:	-9.16(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN(C)C(=O)C(=CC2=CC(=CC=C2)OC)N3C(=NN=N3)C

DOS

IR

Vibrations