Geometry & MOs

Info

ID:

147375

PubChem CID:

53787031

Reduced:

N6O11C40H64 (1)

Stoich.:

A6B11C40D64 (1)

Weight, g/mol:

334.12772

ΔHf, kcal/mol:

-538.41

Dipole, Da:

5.93

IP(EA), eV:

 -9.42(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4R,6R,7S)-11-amino-10,13-dihydroxy-7-methoxy-12-methyl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(13),9,11-trien-8-ylidene]methyl carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N([C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(C2CCCC2C(=O)N[C@@H](C(C)C)C(=O)NC(C(C)C)C(=O)OC)O)C(=O)OC(C)(C)C)NC(=O)[C@H](CO)N

DOS

IR

Vibrations