Geometry & MOs

Info

ID:	170517
PubChem CID:	75246733
Reduced:	SO3F5N5H16C20 (1)
Stoich.:	AB3C5D5E16F20 (1)
Weight, g/mol:	385.084475
ΔH_f, kcal/mol:	-275.08
Dipole, Da:	5.99
IP(EA), eV:	-9.37(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(4-hydroxyphenyl)-6-(thiophene-2-carbonyl)-1,2,3,7-tetrahydrotetrazolo[1,5-a]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CN1C2C=CN(C2C(=O)N(C1=O)C)CC(=O)NC3=NC(=CS3)C4=C(C(=C(C=C4)F)C(F)(F)F)F

DOS

IR

Vibrations