Geometry & MOs

Info

ID:	404271
PubChem CID:	135065638
Reduced:	NSO3H27C29 (1)
Stoich.:	ABC3D27E29 (1)
Weight, g/mol:	299.209658
ΔH_f, kcal/mol:	-29.34
Dipole, Da:	8.0
IP(EA), eV:	-9.28(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations