Geometry & MOs

Info

ID:

299594

PubChem CID:

117688089

Reduced:

SN5O9C29H41 (1)

Stoich.:

AB5C9D29E41 (1)

Weight, g/mol:

605.248563

ΔHf, kcal/mol:

-334.6

Dipole, Da:

9.13

IP(EA), eV:

 -8.61(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2-methylbenzoyl)amino]-3-[[2-[1-phenylmethoxycarbonyloxy-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)COC2CC(N(C2)OC(=O)OCC(C)C)CNC3=CC=CC=N3)C(=O)O)C

DOS

IR

Vibrations