Geometry & MOs

Info

ID:	290463
PubChem CID:	104585925
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	217.077265
ΔH_f, kcal/mol:	-121.66
Dipole, Da:	2.0
IP(EA), eV:	-8.92(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-methylcyclopropyl)methylamino]-2-oxoethyl]sulfanylacetic acid

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNCC(COC2=CC=CC=C2)O

DOS

IR

Vibrations