Geometry & MOs

Info

ID:	44449
PubChem CID:	10503620
Reduced:	IO2C21H37 (1)
Stoich.:	AB2C21D37 (1)
Weight, g/mol:	448.170647
ΔH_f, kcal/mol:	-130.63
Dipole, Da:	3.29
IP(EA), eV:	-9.64(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-4-(carboxymethyl)-1-[2-[[4-[(N'-methylcarbamimidoyl)amino]benzoyl]amino]acetyl]-3-oxopiperazin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCI

DOS

IR

Vibrations