Geometry & MOs

Info

ID:	74121
PubChem CID:	48421488
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	361.120861
ΔH_f, kcal/mol:	-40.29
Dipole, Da:	2.08
IP(EA), eV:	-8.77(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)C(=O)NC2=C(N=CC=C2)N3C=CC=N3

DOS

IR

Vibrations