Geometry & MOs

Info

ID:

222853

PubChem CID:

85332741

Reduced:

NO2C7H10 (4)

Stoich.:

AB2C7D10 (4)

Weight, g/mol:

562.301602

ΔHf, kcal/mol:

-269.66

Dipole, Da:

7.7

IP(EA), eV:

 -9.92(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-N-butan-2-yl-5-[1-[2-[(4-carbamimidoyl-2-methoxyphenyl)methylamino]-2-oxoethyl]-6-oxo-5-(propan-2-ylamino)pyrazin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)NC(=O)OC4COC5C4OCC5N=[N+]=[N-])C

DOS

IR

Vibrations