Geometry & MOs

Info

ID:	146287
PubChem CID:	53664426
Reduced:	OSN2C19H26 (1)
Stoich.:	ABC2D19E26 (1)
Weight, g/mol:	413.179815
ΔH_f, kcal/mol:	-15.86
Dipole, Da:	2.69
IP(EA), eV:	-8.54(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S,6R,7R,8S)-2-amino-8-[[(2S)-2-aminopropanoyl]amino]-5,6,7,9-tetrahydroxy-4-oxo-3-phenylnonanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)SC2=C(N=C(N2CC3CC3)CO)C(C)C)C

DOS

IR

Vibrations