Geometry & MOs

Info

ID:	233912
PubChem CID:	92192418
Reduced:	O2S2N4C25H26 (1)
Stoich.:	A2B2C4D25E26 (1)
Weight, g/mol:	343.171834
ΔH_f, kcal/mol:	23.17
Dipole, Da:	4.41
IP(EA), eV:	-8.73(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-[(1S)-1-pyridin-3-ylethyl]thiourea

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)[C@@H](C)NC(=O)C2=CC(=NC3=CC=CC=C32)SC4=NN=C(S4)C

DOS

IR

Vibrations