Geometry & MOs

Info

ID:

147524

PubChem CID:

53787180

Reduced:

N4O5H30C41 (1)

Stoich.:

A4B5C30D41 (1)

Weight, g/mol:

731.437033

ΔHf, kcal/mol:

80.6

Dipole, Da:

8.17

IP(EA), eV:

 -8.55(-2.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-phenylprop-2-enyl N-[1-[[5-hydroxy-2,8-dimethyl-7-[[3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-pyridin-2-ylcarbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N(C2=C(C=CC(=C2)C)C)C(=N)C3=CC(=C4C5=CC=C(C6=C7C=CC(=C56)C8=C4C3=C(C=C8)C(=O)NC7=O)C(=O)N)C(=O)O

DOS

IR

Vibrations