Geometry & MOs

Info

ID:	243420
PubChem CID:	99222774
Reduced:	SN2O2H20C21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-8.6
Dipole, Da:	5.49
IP(EA), eV:	-8.67(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide

Drug info:

PubChemData

Smile

CCN(C1=CN=C(C=C1)OC)C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

DOS

IR

Vibrations