Geometry & MOs

Info

ID:

215212

PubChem CID:

85084373

Reduced:

N7O12C35H49 (1)

Stoich.:

A7B12C35D49 (1)

Weight, g/mol:

759.384328

ΔHf, kcal/mol:

-513.63

Dipole, Da:

8.33

IP(EA), eV:

 -9.27(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ditert-butyl 2-[[4-[[4-[(2-methyl-4-oxo-6H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]butanedioate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CO)N

DOS

IR

Vibrations