Geometry & MOs

Info

ID:	438363
PubChem CID:	135228099
Reduced:	N3O6C23H27 (1)
Stoich.:	A3B6C23D27 (1)
Weight, g/mol:	412.120526
ΔH_f, kcal/mol:	-228.58
Dipole, Da:	3.8
IP(EA), eV:	-9.48(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(1,3-oxazol-5-ylmethyl)urea

Drug info:

PubChemData

Smile

CCNC(=O)OCC1C2=C(C=CC(=C2)C(=O)NCCO)C3=C1C=C(C=C3)C(=O)NCCO

DOS

IR

Vibrations