Geometry & MOs

Info

ID:	245145
PubChem CID:	99437698
Reduced:	S2N3O5C21H21 (1)
Stoich.:	A2B3C5D21E21 (1)
Weight, g/mol:	400.142993
ΔH_f, kcal/mol:	-153.39
Dipole, Da:	7.63
IP(EA), eV:	-8.94(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=CC(=C2)S(=O)(=O)N3C[C@H](CC4=CC=CC=C43)C(=O)N)C

DOS

IR

Vibrations