Geometry & MOs

Info

ID:

334160

PubChem CID:

127252712

Reduced:

NO6H13C17 (1)

Stoich.:

AB6C13D17 (1)

Weight, g/mol:

655.311832

ΔHf, kcal/mol:

-189.05

Dipole, Da:

8.12

IP(EA), eV:

 -8.66(-1.01)

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]-3-methyl-N-[4-(2-methyltetrazol-5-yl)phenyl]pentanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(O2)C3=CC4=C(C=C3)OCO4)CC(=O)O)C(=O)N1

DOS

IR

Vibrations