Geometry & MOs

Info

ID:	334092
PubChem CID:	127252644
Reduced:	NO3H13C22 (1)
Stoich.:	AB3C13D22 (1)
Weight, g/mol:	590.310435
ΔH_f, kcal/mol:	-18.29
Dipole, Da:	4.66
IP(EA), eV:	-8.78(-1.49)
Spin(S_z, 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-(2-pyrrol-1-ylethyl)pentanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)C5=CC=C(C=C5)O

DOS

IR

Vibrations