Geometry & MOs

Info

ID:

44977

PubChem CID:

10506968

Reduced:

FN5O6H22C29 (1)

Stoich.:

AB5C6D22E29 (1)

Weight, g/mol:

555.196528

ΔHf, kcal/mol:

-139.33

Dipole, Da:

3.29

IP(EA), eV:

 -8.82(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3S)-4-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]-3-(3,4-dihydroxyphenyl)propanoyl]-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)C2=NC3=C(O2)C=CC(=C3)C(=O)O)NC(=O)CN4C(=NC=C(C4=O)N)C5=CC=C(C=C5)F

DOS

IR

Vibrations