Geometry & MOs

Info

ID:	131618
PubChem CID:	51236031
Reduced:	OS2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	364.102768
ΔH_f, kcal/mol:	33.32
Dipole, Da:	4.35
IP(EA), eV:	-8.77(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=C(S2)NCC=C)C

DOS

IR

Vibrations