Geometry & MOs

Info

ID:

221646

PubChem CID:

85285816

Reduced:

NO3C17H20 (2)

Stoich.:

AB3C17D20 (2)

Weight, g/mol:

572.288637

ΔHf, kcal/mol:

-197.63

Dipole, Da:

3.05

IP(EA), eV:

 -8.56(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

phenyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1NC(=O)CN2CC(C(C2C3=CC=C(C=C3)OC)C(=O)OCC)C4=CC5=C(C=C4)OCO5)CC)C

DOS

IR

Vibrations