Geometry & MOs

Info

ID:

219490

PubChem CID:

85148753

Reduced:

O10C27H32 (1)

Stoich.:

A10B27C32 (1)

Weight, g/mol:

516.157974

ΔHf, kcal/mol:

-359.25

Dipole, Da:

9.75

IP(EA), eV:

 -10.71(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-carbamimidoylphenyl)methyl]-3-(naphthalen-1-ylsulfonylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=CC(=O)OC7OC)C)C)C

DOS

IR

Vibrations