Geometry & MOs

Info

ID:	441320
PubChem CID:	135234108
Reduced:	OF2S2N7C31H35 (1)
Stoich.:	AB2C2D7E31F35 (1)
Weight, g/mol:	276.16602
ΔH_f, kcal/mol:	-23.45
Dipole, Da:	3.98
IP(EA), eV:	-8.91(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N'-methyl-N-[(E)-1-phenylpent-2-en-2-yl]carbamimidothioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)NC2=NN=C(S2)[C@H]3CCC[C@@H](C3)C4=NN=C(S4)NC(C)CC5=CC=C(C=C5)N6CC(C6)(F)F

DOS

IR

Vibrations