Geometry & MOs

Info

ID:	145693
PubChem CID:	53572637
Reduced:	S2N3O3C14H17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	348.179755
ΔH_f, kcal/mol:	-60.13
Dipole, Da:	9.04
IP(EA), eV:	-8.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-[[2-(carbamoylamino)-2-oxoethyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCN(C2)C3=NC=C(S3)S(=O)(=O)N

DOS

IR

Vibrations