Geometry & MOs

Info

ID:

441570

PubChem CID:

135236359

Reduced:

SO4N6C24H26 (1)

Stoich.:

AB4C6D24E26 (1)

Weight, g/mol:

572.184189

ΔHf, kcal/mol:

-85.13

Dipole, Da:

3.82

IP(EA), eV:

 -9.21(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-(3-aminopiperidin-1-yl)-3-[(2-cyanophenyl)methyl]-4-oxothieno[3,2-d]pyrimidine-7-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C(=O)O)NC(=O)C1=CSC2=C1N=C(N(C2=O)CC3=CC=CC=C3C#N)N4CCCC(C4)N

DOS

IR

Vibrations