Geometry & MOs

Info

ID:

335034

PubChem CID:

127253840

Reduced:

N3O6C21H23 (1)

Stoich.:

A3B6C21D23 (1)

Weight, g/mol:

617.156493

ΔHf, kcal/mol:

-198.67

Dipole, Da:

7.16

IP(EA), eV:

 -8.44(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (6S,7R)-7'-chloro-4',6'-dimethoxy-2,7-dimethyl-3',5-dioxo-4-(3-pyrimidin-2-yloxyphenyl)spiro[1,4,7,8-tetrahydroquinoline-6,2'-1-benzofuran]-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1C)C(=O)NCC2=C3CCN(C(=O)C3=C(C4=C2OCO4)OC)C

DOS

IR

Vibrations