Geometry & MOs

Info

ID:	424618
PubChem CID:	135123339
Reduced:	SF3N4O5H33C35 (1)
Stoich.:	AB3C4D5E33F35 (1)
Weight, g/mol:	190.095357
ΔH_f, kcal/mol:	-227.23
Dipole, Da:	7.43
IP(EA), eV:	-8.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(carboxyamino)methyl]butylcarbamic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3OC4CCS(=NC(=O)C(F)(F)F)(=O)CC4)C5=CC=NN5C6=CC=CC=C6)C7(C2=O)CCC7

DOS

IR

Vibrations