Geometry & MOs

Info

ID:	49220
PubChem CID:	11531989
Reduced:	FN2O2C26H35 (1)
Stoich.:	AB2C2D26E35 (1)
Weight, g/mol:	427.243084
ΔH_f, kcal/mol:	-99.15
Dipole, Da:	2.61
IP(EA), eV:	-8.5(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[2-[1-[(2S)-2-acetamido-6-aminohexanoyl]piperidin-4-yl]acetyl]amino]-4-amino-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)COC2=CC3=C(C=C2)C(CN(C3)C)C4=CC(=C(C=C4)OC)F

DOS

IR

Vibrations