Geometry & MOs

Info

ID:	222749
PubChem CID:	85332314
Reduced:	SN5O5C25H27 (1)
Stoich.:	AB5C5D25E27 (1)
Weight, g/mol:	510.148154
ΔH_f, kcal/mol:	-144.62
Dipole, Da:	4.36
IP(EA), eV:	-8.59(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC2=C(C=CN=C2C=C1)NC(=O)C3(CCN(CC3O)CCC4=CC5=C(C=C4)SCC(=O)N5)O

DOS

IR

Vibrations