Geometry & MOs

Info

ID:	284406
PubChem CID:	104046460
Reduced:	NSO4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	214.131742
ΔH_f, kcal/mol:	-132.22
Dipole, Da:	4.96
IP(EA), eV:	-9.7(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-amino-4-oxobutyl)amino]-2-cyclopropylacetate

Drug info:

PubChemData

Smile

COC(=O)C(C1CC1)NCC2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations