Geometry & MOs

Info

ID:

436052

PubChem CID:

135193575

Reduced:

N5O7C45H45 (1)

Stoich.:

A5B7C45D45 (1)

Weight, g/mol:

524.296283

ΔHf, kcal/mol:

-108.89

Dipole, Da:

3.73

IP(EA), eV:

 -7.95(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-aminopropyl-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]amino]-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

CC(C)NC1=CC=C(C=C1)C2=CN3C(C2)C=NC4=CC(=C(C=C4C3=O)OC)OCCCOC5=C(C=C6C(=C5)N=C[C@@H]7CC(=CN7C6=O)C8=CC=C(C=C8)OC)OC

DOS

IR

Vibrations