Geometry & MOs

Info

ID:	148362
PubChem CID:	53788024
Reduced:	SF3N4O5H21C22 (1)
Stoich.:	AB3C4D5E21F22 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-291.61
Dipole, Da:	5.88
IP(EA), eV:	-9.41(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-carbamimidoylphenyl)pentan-2-yl formate

Drug info:

PubChemData

Smile

C1CN(C(=O)C1=CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)N)SC2)C(=O)O)CC(F)(F)F

DOS

IR

Vibrations