Geometry & MOs

Info

ID:

424963

PubChem CID:

135124588

Reduced:

SO5N7C37H45 (1)

Stoich.:

AB5C7D37E45 (1)

Weight, g/mol:

393.09139

ΔHf, kcal/mol:

-75.74

Dipole, Da:

3.91

IP(EA), eV:

 -8.42(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3S)-3-[5-chloro-4-(hydroxymethyl)thiophen-2-yl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)propanoate

Drug info:

PubChemData

Smile

CCC1CN(S(C2=CC=CC=C2O1)(O)O)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)NC(=O)C6=CN=C(N=C6)OC)C

DOS

IR

Vibrations