Geometry & MOs

Info

ID:	245146
PubChem CID:	99437699
Reduced:	SO2N8C17H20 (1)
Stoich.:	AB2C8D17E20 (1)
Weight, g/mol:	400.142993
ΔH_f, kcal/mol:	67.2
Dipole, Da:	8.4
IP(EA), eV:	-9.29(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-methyl-N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxoethyl]-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)CC(=O)NC1=CC(=CC=C1)N2C(=NN=N2)SC)N3C=CC=N3

DOS

IR

Vibrations