Geometry & MOs

Info

ID:	135485
PubChem CID:	51879127
Reduced:	ClSO2N5C23H24 (1)
Stoich.:	ABC2D5E23F24 (1)
Weight, g/mol:	394.123025
ΔH_f, kcal/mol:	-6.19
Dipole, Da:	7.2
IP(EA), eV:	-9.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-(2-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2C3CCCC3)C4=CC=CC=C4Cl

DOS

IR

Vibrations