Geometry & MOs

Info

ID:	83446
PubChem CID:	49857602
Reduced:	ClFS2N4O4C23H30 (1)
Stoich.:	ABC2D4E4F23G30 (1)
Weight, g/mol:	493.181747
ΔH_f, kcal/mol:	-194.2
Dipole, Da:	9.81
IP(EA), eV:	-9.19(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[ethyl-[2-[2-[5-methyl-4-(1,2,4-thiadiazol-5-ylcarbamoyl)thiophen-2-yl]pyrrolidin-1-yl]-2-oxoethyl]amino]acetate

Drug info:

PubChemData

Smile

CCN(CC(=O)N1C[C@@H](CC1C2=CC(=C(S2)C)C(=O)NC3=NC=C(S3)Cl)F)CC(=O)OC(C)(C)C

DOS

IR

Vibrations