Geometry & MOs

Info

ID:	245161
PubChem CID:	99437714
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	446.162391
ΔH_f, kcal/mol:	-110.64
Dipole, Da:	3.16
IP(EA), eV:	-8.76(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[[5-(cyclopropylsulfamoyl)furan-2-carbonyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=C(C=C2)NC(=O)CNC(=O)/C=C/C3=CC=CO3)C(=O)N

DOS

IR

Vibrations