Geometry & MOs

Info

ID:	145573
PubChem CID:	53546524
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	349.200156
ΔH_f, kcal/mol:	35.38
Dipole, Da:	2.27
IP(EA), eV:	-9.1(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3-hydroxy-3-methylbutan-2-yl)carbamoylamino]-4-pyrrolidin-1-ylbenzoate

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1)C(=O)NCC2=NN=CN2C3CC3)C

DOS

IR

Vibrations