Geometry & MOs

Info

ID:

84036

PubChem CID:

49863538

Reduced:

S6N16O30C59H114 (1)

Stoich.:

A6B16C30D59E114 (1)

Weight, g/mol:

261.093583

ΔHf, kcal/mol:

-1406.79

Dipole, Da:

8.46

IP(EA), eV:

 -9.02(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(3-methoxyphenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCC(C)CCCCC(=O)N(CS(=O)(=O)O)[C@@H](CCNCS(=O)(=O)O)C(=O)N[C@@H](CN[C@@H](CCNCS(=O)(=O)O)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCNCS(=O)(=O)O)CC(C)C)CC(C)C)CCNCS(=O)(=O)O)CCNCS(=O)(=O)O)[C@@H](C)O)[C@@H](C)O

DOS

IR

Vibrations