Geometry & MOs

Info

ID:	440302
PubChem CID:	135230249
Reduced:	ClOSN7H14C16 (1)
Stoich.:	ABCD7E14F16 (1)
Weight, g/mol:	542.277421
ΔH_f, kcal/mol:	124.42
Dipole, Da:	6.23
IP(EA), eV:	-9.37(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[2-[3-(cyclopropylsulfonylcarbamoyl)pent-1-en-3-ylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C=C(C=C3)Cl)N=C2SCC4=NC=CC(=C4)OC

DOS

IR

Vibrations