Geometry & MOs

Info

ID:

426385

PubChem CID:

135143686

Reduced:

OPN4H37C53 (1)

Stoich.:

ABC4D37E53 (1)

Weight, g/mol:

598.13285

ΔHf, kcal/mol:

215.2

Dipole, Da:

4.72

IP(EA), eV:

 -8.0(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 7-[(4-iodo-2-phenylmethoxybenzoyl)amino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C2/C(=C\C=C)/C3=CC=CC=C3N2C4=CC=CC=C4C15C6=C(C=C(C=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)P(=O)(C1=CC=CC=C51)C1=CC=CC=C1

DOS

IR

Vibrations