Geometry & MOs

Info

ID:

176630

PubChem CID:

76075903

Reduced:

SN7O7C36H45 (1)

Stoich.:

AB7C7D36E45 (1)

Weight, g/mol:

713.367616

ΔHf, kcal/mol:

-216.75

Dipole, Da:

5.53

IP(EA), eV:

 -8.89(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

oxolan-3-yl N-[3-hydroxy-6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-[3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enyl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1CCNC(C1)C2CCCNC2(C(=O)CNC(=O)CNC(=O)C(CC3=CC(=CC=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)O

DOS

IR

Vibrations