Geometry & MOs

Info

ID:	262003
PubChem CID:	103265873
Reduced:	NSO2C10H19 (1)
Stoich.:	ABC2D10E19 (1)
Weight, g/mol:	247.02079
ΔH_f, kcal/mol:	-97.73
Dipole, Da:	3.65
IP(EA), eV:	-8.53(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-(pent-4-yn-2-ylamino)propanoate

Drug info:

PubChemData

Smile

CC(CCSC)NC1CCC1C(=O)O

DOS

IR

Vibrations