Geometry & MOs

Info

ID:

334924

PubChem CID:

127253730

Reduced:

N4O4C23H24 (1)

Stoich.:

A4B4C23D24 (1)

Weight, g/mol:

670.311498

ΔHf, kcal/mol:

-101.84

Dipole, Da:

4.66

IP(EA), eV:

 -8.41(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)C[C@H]3C(=O)N(C(=O)N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations