Geometry & MOs

Info

ID:

334185

PubChem CID:

127252737

Reduced:

N5O6C31H39 (1)

Stoich.:

A5B6C31D39 (1)

Weight, g/mol:

655.213441

ΔHf, kcal/mol:

-24.72

Dipole, Da:

7.95

IP(EA), eV:

 -8.41(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=CN(N=C1)C)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations