Geometry & MOs

Info

ID:

424786

PubChem CID:

135123914

Reduced:

ClSO4N8C35H39 (1)

Stoich.:

ABC4D8E35F39 (1)

Weight, g/mol:

541.180205

ΔHf, kcal/mol:

-19.97

Dipole, Da:

6.46

IP(EA), eV:

 -9.15(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[5-chloro-4-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=C(O1)N=CC=C2)CC3=C(C=CC(=C3)C(C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)C(=O)NC6=CN=C(N=C6)Cl)C

DOS

IR

Vibrations