Geometry & MOs

Info

ID:	218904
PubChem CID:	85090139
Reduced:	BrClSeSiO3C19H26 (1)
Stoich.:	ABCDE3F19G26 (1)
Weight, g/mol:	524.163804
ΔH_f, kcal/mol:	-115.04
Dipole, Da:	4.32
IP(EA), eV:	-8.91(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-chloro-5-(2,2-difluoroethoxy)phenyl]-2-hydroxyacetyl]-N-[[4-(N'-methoxycarbamimidoyl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1C(CC2C(C1C(=O)O2)Br)[Se]C3=CC=C(C=C3)Cl

DOS

IR

Vibrations